5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile

Modify Date: 2024-01-11 10:49:24

5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile Structure
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile structure
Common Name 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
CAS Number 138564-59-7 Molecular Weight 259.284
Density 1.4±0.1 g/cm3 Boiling Point 425.4±45.0 °C at 760 mmHg
Molecular Formula C12H9N3O2S Melting Point 111 °C
MSDS N/A Flash Point 211.1±28.7 °C
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Names

Name 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 425.4±45.0 °C at 760 mmHg
Melting Point 111 °C
Molecular Formula C12H9N3O2S
Molecular Weight 259.284
Flash Point 211.1±28.7 °C
Exact Mass 259.041534
PSA 109.88000
LogP 3.78
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.659

 Safety Information

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H319-H410
Precautionary Statements P305 + P351 + P338
Hazard Codes N
Risk Phrases 22-50/53
Safety Phrases 22-60-61
RIDADR 3077.0
HS Code 2934999090

 Synthetic Route

~94%

5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile Structure

5-Methyl-2-[(2-...

CAS#:138564-59-7

Literature: Hartwig, Jan; Ceylan, Sascha; Kupracz, Lukas; Coutable, Ludovic; Kirschning, Andreas Angewandte Chemie - International Edition, 2013 , vol. 52, # 37 p. 9813 - 9817 Angew. Chem., 2013 , vol. 125, # 37 p. 9995 - 9999,5

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles7

More Articles
Crystalline polymorph selection and discovery with polymer heteronuclei.

J. Am. Chem. Soc. 127(15) , 5512-7, (2005)

The discovery and selective production of crystalline polymorphs, an outstanding problem in solid-state chemistry, is of great importance industrially in, for example, the manufacture of pharmaceutica...

Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals.

Acc. Chem. Res. 43(9) , 1257-66, (2010)

Diamond and graphite are polymorphs of each other: they have the same composition but different structures and properties. Many other substances exhibit polymorphism: inorganic and organic, natural an...

Selective nucleation and discovery of organic polymorphs through epitaxy with single crystal substrates.

J. Am. Chem. Soc. 123(44) , 10830-9, (2001)

Crystallization of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (1), previously found to produce six conformational polymorphs from solution, on single-crystal pimelic acid (PA) substrate...

 Synonyms

Olanzapine impurity A
5-Methyl-​2-(2-nit​roanilino)-3-​thiophene​carbonitr​ile
T5SJ BMR BNW& CCN E1
3-Cyano-5-methyl-2-(2-nitroanilino)thiophene
EINECS 421-300-1
MFCD06408054
5-Methyl-​​2-(2-nit​​roanilin​o)​thi​ophene​-3-ca​rbonitr​i​le
5-Methyl-2-(2-nitroanilino)-3-thiophenecarbonitrile
5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile
5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile
3-Thiophenecarbonitrile, 5-methyl-2-[(2-nitrophenyl)amino]-
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
Olanzapine Related Compound A
5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile
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